Jeyapragasam Meena Devi
(Department of Physics, School of Electrical and Electronics Engineering, SASTRA Deemed University, Thanjavur, Tamilnadu, India)

The unique, versatile features of gold nanoparticles such as stability at ambient conditions,  ease of surface modification, bio-compatibility, excellent physicochemical  and biological  properties, make them a promising candidate in the field of research and bio-nanotechnology. In the present work, molecular dynamics simulations have been employed to study the  effect of shape (sphere, cube, pyramid, rod) on the structural, thermal and hydration properties of gold nanoparticles. The stability of the gold nanoparticles has been found to enhance  with the increase in the degree of compactness of shape. There is no significant change in the specific heat capacity of the gold nanoparticles with respect to shape. The wettability of the gold nanoparticles has been found to enhance with the decrease in the degree of compactness of shape. Hence the present results suggest that, the stability and the wettability of the gold nanoparticles may be modified by altering their shape.

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